SCHEMBL8775768

SCHEMBL8775768

CC[CH]OC(C)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
GALR3 O60755 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8769035 0.77 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1796201 0.77 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL248623 0.75
SCHEMBL838190 0.75
SCHEMBL26669086 0.74 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL839373 0.74 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6806645 0.73
SCHEMBL987906 0.72 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8769501 0.72 TSHR (0.32) TSHR
SCHEMBL50343 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579192-B1 Monoazo disperse dyes and mixtures thereof DYSTAR JAPAN LTD (JP) 1997-11-19 EP disclosed
US-5440024-A Light-fast for dyeing polyster fibers in blue colors HOECHST MITSUBISHI KASEI CO., LTD. (JP) 1995-08-08 US disclosed
US-5331049-A Ethylene-unsaturated ester copolymer with grafted hydrolyzable silane functionality and tackifier blend EXXON CHEMICAL PATENTS INC. (US) 1994-07-19 US disclosed
EP-0579192-A1 Monoazo disperse dyes and mixtures thereof DyStar Japan Ltd. (JP) 1994-01-19 EP disclosed
WO-1992000362-A2 WATER-CURABLE, HOT MELT ADHESIVE COMPOSITION EXXON CHEMICAL PATENTS INC. (US) 1992-01-09 WO disclosed